5-fluoro-N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine

C13H22FN3 — CID 114035298

IUPAC5-fluoro-N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine
SMILESCNCc1cc(F)cnc1N(C)CCC(C)C
InChIInChI=1S/C13H22FN3/c1-10(2)5-6-17(4)13-11(8-15-3)7-12(14)9-16-13/h7,9-10,15H,5-6,8H2,1-4H3
InChIKeyQHARLPLSVPXDLG-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.42
Rot. Bonds6

About 5-fluoro-N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine

5-fluoro-N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine (PubChem CID 114035298) has the molecular formula C13H22FN3 and a molecular weight of 239.34 g/mol. Its IUPAC name is 5-fluoro-N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine
PubChem CID114035298
Molecular FormulaC13H22FN3
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC Name5-fluoro-N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine
SMILESCNCc1cc(F)cnc1N(C)CCC(C)C
InChIInChI=1S/C13H22FN3/c1-10(2)5-6-17(4)13-11(8-15-3)7-12(14)9-16-13/h7,9-10,15H,5-6,8H2,1-4H3
InChIKeyQHARLPLSVPXDLG-UHFFFAOYSA-N
XLogP2.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine
CID 62294745
5-fluoro-N-methyl-3-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 114035458
N-methyl-5-(methylaminomethyl)-N-(3-methylbutyl)pyrazin-2-amine
CID 107379708
1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]-N-methylmethanamine
CID 114035761
N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline
CID 62135727
6-ethyl-N-methyl-4-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine
CID 113381387
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 55055106
5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine
CID 107081147
3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile
CID 112675422
N-[[5-fluoro-2-(4-methylpentoxy)-3-pyridinyl]methyl]ethanamine
CID 114035538
1-[5-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 114035444
N-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 114035229

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine (CID 114035298) is 5-fluoro-N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine is CNCc1cc(F)cnc1N(C)CCC(C)C.
What is the InChIKey of 5-fluoro-N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine?
The InChIKey is QHARLPLSVPXDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3/c1-10(2)5-6-17(4)13-11(8-15-3)7-12(14)9-16-13/h7,9-10,15H,5-6,8H2,1-4H3.
What are the key properties of 5-fluoro-N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine?
5-fluoro-N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine has a molecular weight of 239.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 114035298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).